SCHEMBL7047251

SCHEMBL7047251

CCc1cc2cccc(O)c2cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.47
HSD17B2 P37059 4/20 0.47
GRIN2D O15399 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PLAU P00749 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
DAO P14920 3/20 0.41
CYP1A2 P05177 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
DDO Q99489 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7046826 0.93 HSD17B1 (0.47) HSD17B1HSD17B2GRIN2DGRIN2AGRIN2B
SCHEMBL7046736 0.87 GRIN2D (0.50) HSD17B1HSD17B2GRIN2DGRIN2AGRIN2B
SCHEMBL7045703 0.86 HSD17B1 (0.45) HSD17B1HSD17B2GRIN2DGRIN2AGRIN2B
SCHEMBL5083275 0.81 HSD17B1 (0.56) HSD17B1HSD17B2GRIN2DGRIN2AGRIN2B
SCHEMBL2608798 0.79 HSD17B1 (0.59) HSD17B1HSD17B2GRIN2DGRIN2AGRIN2B
SCHEMBL13716722 0.79 PARP1 (0.45) MEN1KMT2APLAUCYP1A2
SCHEMBL8291883 0.79 CYP1A2 (0.41) GRIN2DGRIN2AGRIN2BGRIN2CMEN1
SCHEMBL31290149 0.76 GPR84 (0.44) HSD17B1HSD17B2GRIN2DGRIN2AGRIN2B
SCHEMBL10054046 0.75 HSD17B1 (0.59) HSD17B1HSD17B2GRIN2DGRIN2AGRIN2B
SCHEMBL19425721 0.75 HSD17B1 (0.55) HSD17B1HSD17B2GRIN2DGRIN2AGRIN2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030028055-A1 High quality bisphenol a and preparation process thereof MITSUI CHEMICALS, INC. (JP) 2003-02-06 US disclosed
EP-1149816-A1 HIGH-QUALITY BISPHENOL A AND PROCESS FOR PRODUCING THE SAME Mitsui Chemicals, Inc. (JP) 2001-10-31 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030028055-A1 High quality bisphenol a and preparation process thereof TET2, PCBP1, PAH HSD17B1 1965/4885HSD17B2 1480/4885GRIN2D 4102/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.